SCHEMBL6219918

SCHEMBL6219918

CN1CCCN(C(=O)/C=C/c2c(-c3ccc4c(ccn4C)c3)c[c]c(Cl)c2Cl)CC1

nearest known ligand 0.46

Predicted protein targets (top 15)

geneUniProtsupporting neighboursconfidence
CCNC P24863 6/20 0.46
CDK8 P49336 6/20 0.46
ALDH1A1 P00352 3/20 0.43
RAB9A P51151 1/20 0.43
ITGB2 P05107 4/20 0.42
ICAM1 P05362 4/20 0.42
ITGAL P20701 4/20 0.42
MAPT P10636 2/20 0.39
KDM4E B2RXH2 1/20 0.39
GAA P10253 1/20 0.39
FASN P49327 1/20 0.36
L3MBTL1 Q9Y468 1/20 0.36
GPR183 P32249 1/20 0.36
POLB P06746 1/20 0.35
CHRNA7 P36544 1/20 0.35

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL6218982 0.86 ITGAL (0.57) CCNCCDK8RAB9AITGB2ICAM1
SCHEMBL6219402 0.85 ITGB2 (0.47) CCNCCDK8RAB9AITGB2ICAM1
SCHEMBL6219690 0.85 ITGB2 (0.47) CCNCCDK8ALDH1A1RAB9AITGB2
SCHEMBL6202870 0.84 ITGB2 (0.48) CCNCCDK8ALDH1A1RAB9AITGB2
SCHEMBL6219767 0.82 NPC1 (0.47) CCNCCDK8ALDH1A1RAB9AITGB2
SCHEMBL6219332 0.81 HTT (0.52) CCNCCDK8ALDH1A1ITGB2ICAM1
SCHEMBL6220322 0.81 ITGB2 (0.46) CCNCCDK8RAB9AITGB2ICAM1
SCHEMBL6568699 0.72 ITGAL (0.74) CCNCCDK8ALDH1A1RAB9AITGB2
SCHEMBL6202872 0.72 ITGAL (0.74) CCNCCDK8ALDH1A1RAB9AITGB2
SCHEMBL6197437 0.72 ITGAL (0.66) CCNCCDK8RAB9AITGB2ICAM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 1 patent. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
EP-1140814-B1 CELL ADHESION-INHIBITING ANTIINFLAMMATORY AND IMMUNE-SUPPRESSIVE COMPOUNDS ABBOTT LAB (US) 2005-05-25 EP claimed